1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole

C52H32N2S2 — CID 71229904

IUPAC1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole
SMILESc1ccc(-c2cc3cc(-c4ccc5c(c4)cc(-c4ccccc4)n5-c4ccc5sc6ccccc6c5c4)ccc3n2-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H32N2S2/c1-3-11-33(12-4-1)47-29-37-27-35(19-23-45(37)53(47)39-21-25-51-43(31-39)41-15-7-9-17-49(41)55-51)36-20-24-46-38(28-36)30-48(34-13-5-2-6-14-34)54(46)40-22-26-52-44(32-40)42-16-8-10-18-50(42)56-52/h1-32H
InChIKeyKDYWLPPEIZVVPX-UHFFFAOYSA-N
MW748.98 g/mol
LogP15.31
Rot. Bonds5

About 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole

1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole (PubChem CID 71229904) has the molecular formula C52H32N2S2 and a molecular weight of 748.98 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole
PubChem CID71229904
Molecular FormulaC52H32N2S2
Molecular Weight748.98 g/mol
Exact Mass748.20
IUPAC Name1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole
SMILESc1ccc(-c2cc3cc(-c4ccc5c(c4)cc(-c4ccccc4)n5-c4ccc5sc6ccccc6c5c4)ccc3n2-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C52H32N2S2/c1-3-11-33(12-4-1)47-29-37-27-35(19-23-45(37)53(47)39-21-25-51-43(31-39)41-15-7-9-17-49(41)55-51)36-20-24-46-38(28-36)30-48(34-13-5-2-6-14-34)54(46)40-22-26-52-44(32-40)42-16-8-10-18-50(42)56-52/h1-32H
InChIKeyKDYWLPPEIZVVPX-UHFFFAOYSA-N
XLogP15.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.98
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole?
The IUPAC name of 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole (CID 71229904) is 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole.
What is the SMILES notation for 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole?
The canonical SMILES for 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole is c1ccc(-c2cc3cc(-c4ccc5c(c4)cc(-c4ccccc4)n5-c4ccc5sc6ccccc6c5c4)ccc3n2-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole?
The InChIKey is KDYWLPPEIZVVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S2/c1-3-11-33(12-4-1)47-29-37-27-35(19-23-45(37)53(47)39-21-25-51-43(31-39)41-15-7-9-17-49(41)55-51)36-20-24-46-38(28-36)30-48(34-13-5-2-6-14-34)54(46)40-22-26-52-44(32-40)42-16-8-10-18-50(42)56-52/h1-32H.
What are the key properties of 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole?
1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole has a molecular weight of 748.98 g/mol, XLogP of 15.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-2-yl-5-(1-dibenzothiophen-2-yl-2-phenylindol-5-yl)-2-phenylindole is sourced from PubChem (CID 71229904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).